BAS 12290845
TL;DR: BAS 12290845 (CAS 777870-17-4) is a chemical compound with molecular formula C16H14F2N4O and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,5-difluorophenyl)-6-methyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 12290845, 9-(3,5-difluorophenyl)-6-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,5-difluorophenyl)-6-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(3,5-difluorophenyl)-6-methyl-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5,1-b]qu inazolin-8-one, 9-(3,5-difluorophenyl)-6-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C16H14F2N4O |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.8243 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.11356 |
| Heavy Atoms | 23 |
| Complexity | 822.10583 |
Chemical Identifiers
| CAS Number | 777870-17-4 |
|---|---|
| SMILES | CC1CC2=C(C(N3C(=NC=N3)N2)C4=CC(=CC(=C4)F)F)C(=O)C1 |
Product Overview
BAS 12290845 (CAS 777870-17-4), with molecular formula C16H14F2N4O and molecular weight 316.11 g/mol. IUPAC: 9-(3,5-difluorophenyl)-6-methyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 12290845
Property Insights of BAS 12290845
The XLogP value of 2.8243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12290845. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 12290845 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12290845 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 12290845?
The CAS number of BAS 12290845 is 777870-17-4.
What is the molecular formula of BAS 12290845?
The molecular formula of BAS 12290845 is C16H14F2N4O.
What is the molecular weight of BAS 12290845?
The molecular weight of BAS 12290845 is 316.11 g/mol.
Where can I buy BAS 12290845?
You can request a quote for BAS 12290845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290845?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.